2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine

C14H21NO3 — CID 113440032

IUPAC2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine
SMILESCCOc1cccc(OC2CC(N)C2OCC)c1
InChIInChI=1S/C14H21NO3/c1-3-16-10-6-5-7-11(8-10)18-13-9-12(15)14(13)17-4-2/h5-8,12-14H,3-4,9,15H2,1-2H3
InChIKeyKPPNUUBANXKMHL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.97
Rot. Bonds6

About 2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine

2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine (PubChem CID 113440032) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine
PubChem CID113440032
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine
SMILESCCOc1cccc(OC2CC(N)C2OCC)c1
InChIInChI=1S/C14H21NO3/c1-3-16-10-6-5-7-11(8-10)18-13-9-12(15)14(13)17-4-2/h5-8,12-14H,3-4,9,15H2,1-2H3
InChIKeyKPPNUUBANXKMHL-UHFFFAOYSA-N
XLogP1.97
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethoxyphenoxy)-2-propoxycyclobutan-1-amine
CID 107943638
2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine
CID 104675953
1-(3-chloro-2-propoxycyclobutyl)oxy-3-ethoxybenzene
CID 107942973
2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine
CID 62336151
3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine
CID 107943277
3-(3-bromophenoxy)-2-(2-methoxyethoxy)cyclobutan-1-amine
CID 114032265
2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 107943448
3-(3-chlorophenoxy)-2-methoxycyclobutan-1-amine
CID 104674327
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943230
4-(3-ethoxyphenoxy)pyrrolidin-3-ol
CID 63704227
2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine
CID 104676309

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine?
The IUPAC name of 2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine (CID 113440032) is 2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine is CCOc1cccc(OC2CC(N)C2OCC)c1.
What is the InChIKey of 2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine?
The InChIKey is KPPNUUBANXKMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-16-10-6-5-7-11(8-10)18-13-9-12(15)14(13)17-4-2/h5-8,12-14H,3-4,9,15H2,1-2H3.
What are the key properties of 2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine?
2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 113440032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).